CID 24208913

853310-87-9

Structural Information

Molecular Formula
C19H20N2S
SMILES
CC1CCN(CC1)C2=CC(=NC3=CC=CC=C32)C4=CC=CS4
InChI
InChI=1S/C19H20N2S/c1-14-8-10-21(11-9-14)18-13-17(19-7-4-12-22-19)20-16-6-3-2-5-15(16)18/h2-7,12-14H,8-11H2,1H3
InChIKey
SPEGPUKDCNXYSJ-UHFFFAOYSA-N
Compound name
4-(4-methylpiperidin-1-yl)-2-thiophen-2-ylquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.1347 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.14198 171.3
[M+Na]+ 331.12392 180.2
[M-H]- 307.12742 179.4
[M+NH4]+ 326.16852 186.9
[M+K]+ 347.09786 173.4
[M+H-H2O]+ 291.13196 162.3
[M+HCOO]- 353.13290 185.9
[M+CH3COO]- 367.14855 182.3
[M+Na-2H]- 329.10937 172.2
[M]+ 308.13415 171.0
[M]- 308.13525 171.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.